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April 2015 newsletter

ChEMBL leadlike compounds freely searchable on Blaze demo server

Three new collections of ChEMBL compounds are now available to search on the Blaze demo server. These collections provide leadlike compounds for drug, agrochemical, flavor and fragrance discovery that are suitable for the evaluation of Blaze in these areas. The collections are open to all registered Blaze demo users whether accessed through a web page, KNIME or using Forge, Torch, or TorchLite. Read article.

Rapid and simple Blaze database population and searching using KNIME and Forge

In this case study, Giovanna Tedesco describes how a Blaze database of approximately 200,000 compounds from ChEMBL was prepared in a seamless manner using a KNIME workflow and standard Blaze database creation routines. Read case study.

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Scaffold hopping into new DPP-IV protease inhibitors

Martin Slater shows how Spark can be used to rapidly generate potentially valuable chemical ideas for new DPP-IV inhibitors. This poster was presented at Proteinase 2015. See poster content.

Register for User Group Meetings

Cresset’s User Group Meetings are primarily designed to address the needs of Cresse’ts software and consulting services users, however, non-users are welcome to attend. By joining us at one of our User Group Meetings, you will:

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